N-[(4-fluoro-3-methylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine

C14H18FN3 — CID 62122292

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
SMILESCc1cc(CNCCCn2ccnc2)ccc1F
InChIInChI=1S/C14H18FN3/c1-12-9-13(3-4-14(12)15)10-16-5-2-7-18-8-6-17-11-18/h3-4,6,8-9,11,16H,2,5,7,10H2,1H3
InChIKeySFMHASKGNWKYBK-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.51
Rot. Bonds6

About N-[(4-fluoro-3-methylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine

N-[(4-fluoro-3-methylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine (PubChem CID 62122292) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
PubChem CID62122292
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
SMILESCc1cc(CNCCCn2ccnc2)ccc1F
InChIInChI=1S/C14H18FN3/c1-12-9-13(3-4-14(12)15)10-16-5-2-7-18-8-6-17-11-18/h3-4,6,8-9,11,16H,2,5,7,10H2,1H3
InChIKeySFMHASKGNWKYBK-UHFFFAOYSA-N
XLogP2.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(4-fluoro-3-methylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-bromo-3-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 81003217
1-[(4-fluoro-3-methylphenyl)methyl]-3-(3-imidazol-1-ylpropyl)-2-methylguanidine
CID 111853238
N-[(4-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17155304
3-imidazol-1-yl-N-[[4-(4-methylphenyl)phenyl]methyl]propan-1-amine
CID 142817924
2-fluoro-5-[(4-imidazol-1-ylbutylamino)methyl]benzonitrile
CID 107880172
3-imidazol-1-yl-N-(pyridin-4-ylmethyl)propan-1-amine
CID 15943325
N-[(4-chlorophenyl)methyl]-4-imidazol-1-ylbutan-1-amine;dihydrochloride
CID 19429491
N-[(3,5-dichlorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 60788679
N-[(3-fluorophenyl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 61070174
N-[(3,4-dichlorophenyl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 61069624
4-fluoro-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 63212783
2-fluoro-5-[(2-imidazol-1-ylethylamino)methyl]benzonitrile
CID 114012111

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine (CID 62122292) is N-[(4-fluoro-3-methylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine is Cc1cc(CNCCCn2ccnc2)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine?
The InChIKey is SFMHASKGNWKYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-12-9-13(3-4-14(12)15)10-16-5-2-7-18-8-6-17-11-18/h3-4,6,8-9,11,16H,2,5,7,10H2,1H3.
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine?
N-[(4-fluoro-3-methylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine has a molecular weight of 247.32 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine is sourced from PubChem (CID 62122292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).